Calculator Plugins User's Guide¶
You can find the User's Guide pages of each plugin grouped below.
Physico-chemical plugins¶
- pKa Plugin
- Major Microspecies Plugin
- Isoelectric Point Plugin
- logP Plugin
- logD Plugin
- HLB Predictor
- Solubility Predictor
- NMR Predictor
- Tautomer Generation Plugin
- Stereoisomer Generator Plugin
- Stereo Analysis - calculating stereo descriptors
- CNS MPO Score Predictor
- BBB Score Predictor
- hERG Predictor
Molecular modeling plugins¶
- Charge Plugin
- Orbital Electronegativity Plugin
- Polarizability Plugin
- Conformer Plugin
- 3D Alignment Plugin
- Molecular Dynamics Plugin
Structural property plugins¶
- Elemental Analysis Plugin
- Topological Analysis Plugin
- Geometrical Descriptors Plugin
- Polar Surface Area Plugin 2D
- Molecular Surface Area Plugin 3D
- Structural Frameworks Plugin
- Hydrogen Bond Donor Acceptor Plugin
- Hückel Analysis Plugin
- Refractivity Plugin
- Resonance Plugin
- Markush Enumerator Plugin